Information card for entry 7128229

Structure parameters

• Formula: C174 H174 B2 F40 Mg4 N8
• Calculated formula: C174 H174 B2 F40 Mg4 N8
• Title of publication: Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.
• Authors of publication: Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 43
• Pages of publication: 5278 - 5281
• a: 14.1185 ± 0.0003 Å
• b: 25.0351 ± 0.0005 Å
• c: 25.6684 ± 0.0005 Å
• α: 111.804 ± 0.0019°
• β: 101.01 ± 0.0017°
• γ: 100.407 ± 0.0016°
• Cell volume: 7947.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No